#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6s n GLU 2 N 0.00 0.00 -0.05 1.61 4.07 -1.26 -4.50 120.64 120.52 1a6s n GLU 2 Ca 0.00 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.89 1a6s n GLU 2 Cb 0.00 -2.95 -0.13 0.00 -0.06 0.00 0.00 31.44 28.30 1a6s n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1a6s h ALA 3 N 0.00 0.26 -1.35 4.31 0.00 -1.96 -2.68 119.26 117.83 1a6s h ALA 3 Ca 0.00 -1.16 0.39 0.00 0.00 0.00 0.00 54.91 54.14 1a6s h ALA 3 Cb 0.00 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1a6s h ALA 3 CO 0.00 0.81 1.10 -0.24 0.00 0.00 0.00 179.25 180.92 1a6s h VAL 4 N -0.60 0.17 0.00 0.00 3.04 -1.79 3.02 116.25 120.10 1a6s h VAL 4 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1a6s h VAL 4 Cb 1.55 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 1a6s h VAL 4 CO -0.06 0.00 0.00 -0.38 -1.01 0.00 0.00 177.57 176.12 1a6s n ILE 5 N -3.83 0.00 0.15 3.17 -0.00 -1.25 -3.71 119.36 113.89 1a6s n ILE 5 Ca 0.30 0.48 0.16 0.00 -0.00 0.00 0.00 62.75 63.70 1a6s n ILE 5 Cb 1.52 -1.47 0.54 0.00 -0.00 0.00 0.00 39.64 40.23 1a6s n ILE 5 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.55 176.62 1a6s h LYS 6 N 0.00 0.00 0.00 0.38 5.09 -1.04 -0.92 116.57 120.09 1a6s h LYS 6 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1a6s h LYS 6 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1a6s h LYS 6 CO 0.00 0.00 0.00 1.55 -2.09 0.00 0.00 179.45 178.91 1a6s n VAL 7 N -3.11 0.00 -0.31 0.07 3.14 1.00 0.19 118.33 119.32 1a6s n VAL 7 Ca 0.07 1.12 0.15 0.00 -2.96 0.00 0.00 64.34 62.72 1a6s n VAL 7 Cb 0.83 -2.06 0.32 0.00 -1.06 0.00 0.00 33.84 31.88 1a6s n VAL 7 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1a6s h ILE 8 N 0.00 0.25 0.41 1.55 6.09 -1.29 12.91 117.51 137.44 1a6s h ILE 8 Ca 0.00 -0.06 -0.02 0.00 -1.37 0.00 0.00 64.86 63.41 1a6s h ILE 8 Cb 0.00 0.06 0.00 0.00 0.47 0.00 0.00 36.82 37.35 1a6s h ILE 8 CO 0.00 0.03 -0.20 -1.28 -3.07 0.00 0.00 178.15 173.63 1a6s h SER 9 N 0.18 -0.47 -0.09 2.19 0.87 -1.31 -1.65 113.55 113.28 1a6s h SER 9 Ca 0.59 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 61.15 1a6s h SER 9 Cb 1.25 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1a6s h SER 9 CO -0.69 -0.26 -0.02 -1.28 -0.53 0.00 0.00 176.83 174.05 1a6s h SER 10 N -0.71 0.17 -0.29 6.23 0.87 0.33 -2.36 113.55 117.79 1a6s h SER 10 Ca -0.06 -0.37 0.08 0.00 -1.23 0.00 0.00 61.79 60.22 1a6s h SER 10 Cb 0.42 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1a6s h SER 10 CO 0.09 0.50 0.51 0.00 -0.53 0.00 0.00 176.83 177.40 1a6s h ALA 11 N 0.68 1.91 0.28 6.23 0.00 2.89 12.14 119.26 143.39 1a6s h ALA 11 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a6s h ALA 11 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a6s h ALA 11 CO 0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 179.25 178.46 1a6s n LYS 13 N -4.15 0.64 0.20 0.00 4.81 -0.14 -3.66 118.16 115.86 1a6s n LYS 13 Ca -0.05 0.25 0.06 0.00 -0.87 0.00 0.00 58.31 57.71 1a6s n LYS 13 Cb 0.15 -1.57 0.57 0.00 0.02 0.00 0.00 35.03 34.19 1a6s n LYS 13 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1a6s h THR 14 N -0.39 1.05 0.00 3.15 2.02 2.65 2.02 112.91 123.41 1a6s h THR 14 Ca -0.56 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1a6s h THR 14 Cb 1.78 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1a6s h THR 14 CO -0.17 0.06 0.00 0.00 0.37 0.00 0.00 175.52 175.78 1a6s n TYR 15 N -4.48 0.00 -1.94 3.16 4.19 0.30 -1.30 117.16 117.10 1a6s n TYR 15 Ca -0.02 0.00 -0.33 0.00 3.31 0.00 0.00 57.90 60.86 1a6s n TYR 15 Cb 0.12 -0.32 0.04 0.00 0.49 0.00 0.00 39.34 39.67 1a6s n TYR 15 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a6s n GLY 17 N -0.64 0.00 5.00 0.00 0.00 0.55 -4.75 105.19 105.34 1a6s n GLY 17 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1a6s n GLY 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a6s n LYS 18 N -0.24 0.00 0.00 1.61 4.81 0.55 -2.04 118.16 122.85 1a6s n LYS 18 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1a6s n LYS 18 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1a6s n LYS 18 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1a6s n THR 19 N 0.00 0.00 -0.92 3.15 -1.04 -1.26 -3.69 114.28 110.51 1a6s n THR 19 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1a6s n THR 19 Cb 0.00 -0.09 -0.08 0.00 -1.82 0.00 0.00 70.33 68.33 1a6s n THR 19 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1a6s n SER 20 N -1.90 0.56 -3.95 8.00 7.64 -0.87 -4.87 113.62 118.24 1a6s n SER 20 Ca 0.00 0.52 -0.30 0.00 1.01 0.00 0.00 58.87 60.10 1a6s n SER 20 Cb 0.00 -0.64 0.21 0.00 -1.01 0.00 0.00 64.21 62.77 1a6s n SER 20 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1a6s s PRO 21 N 4.13 -0.33 0.00 1.43 0.04 -1.26 -4.90 135.00 134.11 1a6s s PRO 21 Ca 0.85 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1a6s s PRO 21 Cb -1.07 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1a6s s PRO 21 CO 0.48 -3.08 0.00 0.45 0.04 0.00 0.00 177.00 174.89 1a6s n SER 22 N -4.27 0.00 0.00 6.66 2.88 -1.26 -5.02 113.62 112.60 1a6s n SER 22 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1a6s n SER 22 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1a6s n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1a6s n LYS 23 N 0.00 0.00 0.00 -1.46 4.01 -1.26 -5.01 118.16 114.44 1a6s n LYS 23 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1a6s n LYS 23 Cb 0.00 -0.10 0.00 0.00 -0.51 0.00 0.00 35.03 34.42 1a6s n LYS 23 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1a6s n LYS 24 N -2.23 0.00 -0.83 1.97 4.01 -1.26 -4.79 118.16 115.03 1a6s n LYS 24 Ca 0.00 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.91 1a6s n LYS 24 Cb 0.00 -0.45 -0.03 0.00 -0.51 0.00 0.00 35.03 34.04 1a6s n LYS 24 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1a6s n GLU 25 N 0.00 -1.71 -0.38 1.97 2.13 -1.26 -2.82 120.64 118.57 1a6s n GLU 25 Ca 0.00 1.19 0.34 0.00 0.66 0.00 0.00 57.16 59.35 1a6s n GLU 25 Cb 0.00 -2.07 0.69 0.00 0.27 0.00 0.00 31.44 30.33 1a6s n GLU 25 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1a6s h ILE 26 N -0.77 0.36 -0.28 6.31 1.08 -1.92 0.29 117.51 122.58 1a6s h ILE 26 Ca -0.01 -0.04 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 1a6s h ILE 26 Cb 0.76 0.24 -0.08 0.00 -3.07 0.00 0.00 36.82 34.68 1a6s h ILE 26 CO 0.01 0.02 -0.47 1.23 -0.69 0.00 0.00 178.15 178.26 1a6s h GLY 27 N 0.11 -0.76 0.25 5.37 0.00 -1.91 -0.88 103.07 105.25 1a6s h GLY 27 Ca 0.64 0.59 0.07 0.00 0.00 0.00 0.00 47.33 48.63 1a6s h GLY 27 CO -0.13 -0.19 -0.11 0.00 0.00 0.00 0.00 176.54 176.12 1a6s h ALA 28 N 0.14 0.21 -0.99 3.60 0.00 -0.77 1.87 119.26 123.32 1a6s h ALA 28 Ca 0.09 0.14 0.32 0.00 0.00 0.00 0.00 54.91 55.46 1a6s h ALA 28 Cb 0.62 0.30 -0.18 0.00 0.00 0.00 0.00 17.79 18.53 1a6s h ALA 28 CO -0.50 -0.48 0.20 -0.12 0.00 0.00 0.00 179.25 178.35 1a6s n MET 29 N -5.30 -0.07 -0.04 0.00 0.00 -0.38 0.55 117.12 111.88 1a6s n MET 29 Ca 0.01 1.44 -0.03 0.00 0.00 0.00 0.00 57.70 59.12 1a6s n MET 29 Cb 0.21 -2.39 -0.01 0.00 0.00 0.00 0.00 33.22 31.04 1a6s n MET 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1a6s n LEU 30 N -5.39 0.87 -0.23 -0.89 4.32 -0.24 -2.99 117.00 112.44 1a6s n LEU 30 Ca 0.28 0.31 0.19 0.00 -0.02 0.00 0.00 56.01 56.78 1a6s n LEU 30 Cb 0.94 -0.65 0.52 0.00 -1.62 0.00 0.00 43.42 42.61 1a6s n LEU 30 CO -0.05 -0.45 1.22 0.28 -1.22 0.00 0.00 177.39 177.18 1a6s h SER 31 N -0.47 0.38 0.16 -1.43 0.02 0.30 11.70 113.55 124.22 1a6s h SER 31 Ca 0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1a6s h SER 31 Cb 0.34 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1a6s h SER 31 CO 0.00 0.16 -0.07 0.25 -1.14 0.00 0.00 176.83 176.02 1a6s h LEU 32 N 0.38 -0.18 -0.08 5.07 7.12 1.40 -0.94 115.31 128.09 1a6s h LEU 32 Ca 0.46 0.01 -0.05 0.00 0.13 0.00 0.00 57.88 58.42 1a6s h LEU 32 Cb 1.17 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 1a6s h LEU 32 CO -0.16 -0.03 -0.16 -0.07 -0.13 0.00 0.00 178.44 177.88 1a6s h LEU 33 N -0.40 0.27 0.00 2.25 -0.00 -0.97 0.99 115.31 117.45 1a6s h LEU 33 Ca -0.02 -0.57 0.00 0.00 -0.00 0.00 0.00 57.88 57.29 1a6s h LEU 33 Cb 0.16 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1a6s h LEU 33 CO 0.04 0.79 0.00 1.67 -0.00 0.00 0.00 178.44 180.94 1a6s n GLN 34 N -4.59 0.46 -1.24 1.13 7.27 3.67 0.78 117.38 124.86 1a6s n GLN 34 Ca -0.08 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.03 1a6s n GLN 34 Cb 0.39 -1.48 0.03 0.00 2.41 0.00 0.00 30.24 31.59 1a6s n GLN 34 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1a6s n LYS 35 N -0.98 0.09 0.00 3.69 4.81 -0.36 -4.71 118.16 120.71 1a6s n LYS 35 Ca 0.11 -1.88 0.00 0.00 -0.87 0.00 0.00 58.31 55.67 1a6s n LYS 35 Cb 0.05 -0.20 0.00 0.00 0.02 0.00 0.00 35.03 34.90 1a6s n LYS 35 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1a6s n GLU 36 N 0.30 0.00 0.00 1.64 -0.58 0.31 -4.81 120.64 117.50 1a6s n GLU 36 Ca 0.06 -0.32 0.00 0.00 -0.42 0.00 0.00 57.16 56.47 1a6s n GLU 36 Cb 1.03 -0.45 0.00 0.00 -0.57 0.00 0.00 31.44 31.45 1a6s n GLU 36 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a6s n GLY 37 N 0.00 1.59 2.60 0.62 0.00 -1.08 -4.43 105.19 104.48 1a6s n GLY 37 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1a6s n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a6s n LEU 38 N 0.00 2.57 -1.69 0.99 7.99 0.23 -4.82 117.00 122.28 1a6s n LEU 38 Ca 0.00 -4.20 0.02 0.00 -0.01 0.00 0.00 56.01 51.82 1a6s n LEU 38 Cb 0.00 0.13 0.30 0.00 -0.11 0.00 0.00 43.42 43.74 1a6s n LEU 38 CO 0.00 1.77 0.81 -0.11 -1.51 0.00 0.00 177.39 178.36 1a6s n LEU 39 N -0.23 5.02 -0.84 2.23 0.00 -1.26 -3.74 117.00 118.19 1a6s n LEU 39 Ca 0.19 -2.57 0.06 0.00 0.00 0.00 0.00 56.01 53.69 1a6s n LEU 39 Cb 0.77 -0.67 0.19 0.00 0.00 0.00 0.00 43.42 43.71 1a6s n LEU 39 CO 0.29 0.61 0.64 0.80 0.00 0.00 0.00 177.39 179.73 1a6s n MET 40 N 0.31 2.14 0.00 1.96 1.56 -1.26 -5.03 117.12 116.79 1a6s n MET 40 Ca 0.26 -1.52 0.00 0.00 -0.27 0.00 0.00 57.70 56.18 1a6s n MET 40 Cb 1.09 -1.41 0.00 0.00 2.15 0.00 0.00 33.22 35.04 1a6s n MET 40 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1a6s n SER 41 N 0.64 0.00 -0.38 6.12 2.88 -1.26 -4.39 113.62 117.23 1a6s n SER 41 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1a6s n SER 41 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1a6s n SER 41 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a6s n PRO 42 N 0.04 0.75 0.25 -1.46 -0.04 -1.26 -3.46 135.00 129.82 1a6s n PRO 42 Ca 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1a6s n PRO 42 Cb 0.00 -1.29 0.63 0.00 -0.04 0.00 0.00 33.50 32.80 1a6s n PRO 42 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1a6s h SER 43 N 0.19 0.00 -1.57 3.54 0.87 -1.77 -3.03 113.55 111.79 1a6s h SER 43 Ca 0.00 0.00 0.47 0.00 -1.23 0.00 0.00 61.79 61.03 1a6s h SER 43 Cb 0.29 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.16 1a6s h SER 43 CO 0.00 0.14 1.10 -0.67 -0.53 0.00 0.00 176.83 176.87 1a6s n ASP 44 N -3.40 0.05 0.09 6.23 2.03 -1.22 0.60 116.55 120.92 1a6s n ASP 44 Ca -0.01 0.96 -0.13 0.00 0.52 0.00 0.00 54.79 56.13 1a6s n ASP 44 Cb 0.33 -0.48 -0.08 0.00 -0.72 0.00 0.00 41.12 40.17 1a6s n ASP 44 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1a6s h LEU 45 N 0.00 0.41 -0.59 -2.67 6.46 -1.74 -3.09 115.31 114.09 1a6s h LEU 45 Ca 0.80 -0.38 0.00 0.00 -0.12 0.00 0.00 57.88 58.18 1a6s h LEU 45 Cb 3.04 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 42.84 1a6s h LEU 45 CO -0.13 1.22 0.15 -1.22 -0.62 0.00 0.00 178.44 177.85 1a6s n TYR 46 N -3.63 0.30 -4.12 1.25 4.01 2.53 -4.26 117.16 113.24 1a6s n TYR 46 Ca -0.06 0.16 -0.20 0.00 -0.16 0.00 0.00 57.90 57.63 1a6s n TYR 46 Cb 0.90 -0.63 -0.16 0.00 -0.31 0.00 0.00 39.34 39.14 1a6s n TYR 46 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a6s s SER 47 N -3.24 0.98 0.26 7.72 0.15 -1.09 -5.13 113.70 113.34 1a6s s SER 47 Ca -0.01 -0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.22 1a6s s SER 47 Cb 0.03 -0.44 -0.09 0.00 -1.71 0.00 0.00 66.02 63.80 1a6s s SER 47 CO 0.08 -0.07 1.09 -2.16 1.20 0.00 0.00 173.24 173.38 1a6s s PRO 48 N 1.00 4.65 -0.33 5.44 0.04 -1.26 -3.99 135.00 140.55 1a6s s PRO 48 Ca -0.10 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 1a6s s PRO 48 Cb -0.14 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 1a6s s PRO 48 CO -0.00 0.21 0.29 0.41 0.04 0.00 0.00 177.00 177.94 1a6s n GLY 49 N 1.38 0.27 0.07 0.56 0.00 -1.26 -4.98 105.19 101.23 1a6s n GLY 49 Ca -0.00 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.98 1a6s n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a6s n SER 50 N -1.96 1.67 -0.76 1.61 7.64 -1.26 -4.56 113.62 116.00 1a6s n SER 50 Ca -0.03 -2.22 0.12 0.00 1.01 0.00 0.00 58.87 57.75 1a6s n SER 50 Cb 0.54 -0.16 0.20 0.00 -1.01 0.00 0.00 64.21 63.78 1a6s n SER 50 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1a6s n TRP 51 N -0.69 0.00 0.24 1.43 7.02 -1.26 -3.84 117.44 120.34 1a6s n TRP 51 Ca 0.05 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.66 1a6s n TRP 51 Cb 0.45 -0.01 0.22 0.00 -2.42 0.00 0.00 31.31 29.55 1a6s n TRP 51 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 1a6s h ASP 52 N 3.75 0.00 -0.05 -0.99 -0.00 -2.01 -3.04 116.42 114.08 1a6s h ASP 52 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.03 56.80 1a6s h ASP 52 Cb 0.83 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 40.18 1a6s h ASP 52 CO 0.00 0.00 -0.86 1.55 -0.00 0.00 0.00 179.24 179.93 1a6s h PRO 53 N 0.00 0.67 0.00 0.28 0.13 -1.91 -3.04 132.00 128.14 1a6s h PRO 53 Ca 0.00 -0.66 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1a6s h PRO 53 Cb 0.95 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1a6s h PRO 53 CO 0.00 1.26 0.00 0.97 -0.23 0.00 0.00 178.00 180.00 1a6s h ILE 54 N 0.34 0.00 0.60 -3.56 2.10 -1.77 -0.77 117.51 114.45 1a6s h ILE 54 Ca -0.09 -0.52 -0.03 0.00 1.08 0.00 0.00 64.86 65.30 1a6s h ILE 54 Cb 1.52 1.46 0.01 0.00 -1.09 0.00 0.00 36.82 38.71 1a6s h ILE 54 CO 0.17 0.00 -0.29 0.74 -1.08 0.00 0.00 178.15 177.69 1a6s h THR 55 N 0.00 0.00 0.00 2.19 2.02 -1.42 -3.08 112.91 112.63 1a6s h THR 55 Ca 0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1a6s h THR 55 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1a6s h THR 55 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1a6s n ALA 56 N -2.68 1.97 -0.15 6.16 0.00 -1.18 -2.77 120.51 121.86 1a6s n ALA 56 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1a6s n ALA 56 Cb 0.32 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1a6s n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6s n ALA 57 N -1.68 -0.39 -0.29 0.00 0.00 -0.30 0.85 120.51 118.70 1a6s n ALA 57 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 1a6s n ALA 57 Cb 0.30 0.04 0.08 0.00 0.00 0.00 0.00 19.45 19.87 1a6s n ALA 57 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1a6s h LEU 58 N 0.00 0.90 -1.55 0.00 4.07 -1.63 -0.68 115.31 116.43 1a6s h LEU 58 Ca 0.00 -0.02 0.11 0.00 0.08 0.00 0.00 57.88 58.06 1a6s h LEU 58 Cb 0.00 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.48 1a6s h LEU 58 CO 0.00 0.64 0.46 -1.28 -1.08 0.00 0.00 178.44 177.19 1a6s h SER 59 N 1.06 0.44 0.24 -0.43 0.87 -1.48 4.28 113.55 118.54 1a6s h SER 59 Ca 0.30 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.76 1a6s h SER 59 Cb -0.08 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1a6s h SER 59 CO -0.08 0.25 -0.44 1.56 -0.53 0.00 0.00 176.83 177.59 1a6s h GLN 60 N 0.49 0.25 -0.56 2.24 1.08 0.20 -3.37 115.11 115.44 1a6s h GLN 60 Ca 0.33 -0.13 -0.31 0.00 -1.45 0.00 0.00 58.65 57.09 1a6s h GLN 60 Cb 0.62 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 27.84 1a6s h GLN 60 CO -0.11 0.65 -0.66 0.54 -0.95 0.00 0.00 178.83 178.31 1a6s n ARG 61 N -4.00 0.85 0.00 1.46 1.74 0.70 -4.94 116.66 112.48 1a6s n ARG 61 Ca -0.02 -2.21 0.13 0.00 -0.77 0.00 0.00 57.85 54.98 1a6s n ARG 61 Cb 0.50 -1.33 0.77 0.00 -1.02 0.00 0.00 32.46 31.38 1a6s n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a6s n ALA 62 N 1.14 2.47 0.91 7.54 0.00 1.38 -2.37 120.51 131.58 1a6s n ALA 62 Ca 0.12 -0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1a6s n ALA 62 Cb 0.63 -1.42 0.33 0.00 0.00 0.00 0.00 19.45 18.99 1a6s n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6s n MET 63 N -0.99 0.06 -0.68 0.00 0.00 -1.26 -3.38 117.12 110.86 1a6s n MET 63 Ca 0.19 0.02 0.08 0.00 0.00 0.00 0.00 57.70 58.00 1a6s n MET 63 Cb 0.09 -1.54 0.35 0.00 0.00 0.00 0.00 33.22 32.11 1a6s n MET 63 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1a6s n ILE 64 N -1.63 2.32 0.00 3.17 -5.35 -1.00 -4.89 119.36 111.98 1a6s n ILE 64 Ca 0.05 -1.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.09 1a6s n ILE 64 Cb 0.36 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 1a6s n ILE 64 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1a6s n LEU 65 N 0.49 0.00 0.00 7.28 7.94 -1.22 -5.08 117.00 126.41 1a6s n LEU 65 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1a6s n LEU 65 Cb 1.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.96 1a6s n LEU 65 CO 0.25 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 1a6s n GLY 66 N 5.00 0.82 0.26 -3.96 0.00 -1.26 -5.03 105.19 101.02 1a6s n GLY 66 Ca 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 46.02 45.26 1a6s n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a6s n LYS 67 N 0.00 0.45 -1.21 1.61 0.00 -1.26 -4.72 118.16 113.02 1a6s n LYS 67 Ca 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 58.31 57.47 1a6s n LYS 67 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 35.03 33.93 1a6s n LYS 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1a6s n SER 68 N 0.26 -0.09 0.00 3.14 2.88 -1.26 -4.58 113.62 113.97 1a6s n SER 68 Ca 0.04 -0.75 0.00 0.00 -1.33 0.00 0.00 58.87 56.83 1a6s n SER 68 Cb 0.17 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1a6s n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6s n GLY 69 N -0.07 1.44 0.35 0.46 0.00 -1.26 -4.29 105.19 101.82 1a6s n GLY 69 Ca -0.01 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 45.13 1a6s n GLY 69 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1a6s n GLU 70 N 0.00 0.13 -0.46 1.61 0.28 -1.26 -4.41 120.64 116.52 1a6s n GLU 70 Ca 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1a6s n GLU 70 Cb 0.00 -0.62 0.00 0.00 1.43 0.00 0.00 31.44 32.25 1a6s n GLU 70 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1a6s n LEU 71 N -3.09 0.00 -0.27 -1.84 7.94 -1.26 -4.05 117.00 114.43 1a6s n LEU 71 Ca -0.03 -0.94 0.08 0.00 -1.11 0.00 0.00 56.01 54.00 1a6s n LEU 71 Cb 0.13 0.00 0.21 0.00 0.53 0.00 0.00 43.42 44.29 1a6s n LEU 71 CO 0.05 0.47 0.96 0.50 -1.11 0.00 0.00 177.39 178.27 1a6s h LYS 72 N 0.00 0.29 -0.68 1.96 1.63 -1.92 0.35 116.57 118.21 1a6s h LYS 72 Ca 0.00 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.81 1a6s h LYS 72 Cb 1.25 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.77 1a6s h LYS 72 CO 0.00 0.19 0.43 1.15 -3.45 0.00 0.00 179.45 177.77 1a6s h THR 73 N 0.30 1.10 -0.96 1.00 2.02 -1.87 -0.76 112.91 113.74 1a6s h THR 73 Ca 0.46 -0.29 0.09 0.00 0.77 0.00 0.00 66.41 67.43 1a6s h THR 73 Cb 0.80 0.18 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 1a6s h THR 73 CO -0.52 0.15 0.62 -0.25 0.37 0.00 0.00 175.52 175.89 1a6s h TRP 74 N 0.84 1.10 -0.59 3.16 7.01 -0.73 -0.79 115.95 125.94 1a6s h TRP 74 Ca 0.27 0.03 0.11 0.00 2.11 0.00 0.00 58.89 61.41 1a6s h TRP 74 Cb 0.01 -0.36 -0.08 0.00 -2.10 0.00 0.00 29.16 26.63 1a6s h TRP 74 CO -0.04 0.52 0.14 0.78 -2.79 0.00 0.00 178.44 177.05 1a6s h GLY 75 N 1.03 0.77 0.98 2.65 0.00 0.20 3.17 103.07 111.88 1a6s h GLY 75 Ca 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 1a6s h GLY 75 CO -0.19 -0.10 0.27 -2.00 0.00 0.00 0.00 176.54 174.53 1a6s h LEU 76 N 0.28 0.58 0.38 3.11 5.85 -0.98 5.72 115.31 130.25 1a6s h LEU 76 Ca 0.31 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1a6s h LEU 76 Cb 0.44 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1a6s h LEU 76 CO -0.38 0.49 -0.18 -0.37 -0.34 0.00 0.00 178.44 177.65 1a6s h VAL 77 N 0.63 0.34 0.59 1.05 -1.51 -0.52 -2.88 116.25 113.95 1a6s h VAL 77 Ca 0.17 -0.68 -0.03 0.00 -1.23 0.00 0.00 66.70 64.93 1a6s h VAL 77 Cb 0.02 0.53 0.01 0.00 -2.13 0.00 0.00 31.29 29.72 1a6s h VAL 77 CO -0.03 0.07 -0.29 0.25 -1.23 0.00 0.00 177.57 176.35 1a6s h LEU 78 N -1.02 -0.67 -1.66 4.19 7.12 0.58 -2.97 115.31 120.86 1a6s h LEU 78 Ca -0.05 0.02 0.49 0.00 0.13 0.00 0.00 57.88 58.47 1a6s h LEU 78 Cb 0.51 0.17 -0.07 0.00 -0.53 0.00 0.00 40.66 40.75 1a6s h LEU 78 CO 0.09 -0.28 1.19 0.61 -0.13 0.00 0.00 178.44 179.92 1a6s n GLY 79 N -0.24 -0.84 0.10 3.75 0.00 1.86 0.31 105.19 110.13 1a6s n GLY 79 Ca -0.10 0.60 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 1a6s n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6s h ALA 80 N 0.88 0.12 -0.75 4.61 0.00 -1.35 -1.41 119.26 121.36 1a6s h ALA 80 Ca 0.80 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 55.54 1a6s h ALA 80 Cb 3.19 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 20.87 1a6s h ALA 80 CO -0.03 -0.02 0.31 1.25 0.00 0.00 0.00 179.25 180.75 1a6s h LEU 81 N -0.24 0.30 -1.28 0.00 5.85 0.50 0.91 115.31 121.36 1a6s h LEU 81 Ca 0.01 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1a6s h LEU 81 Cb 0.66 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1a6s h LEU 81 CO 0.03 0.12 -0.23 0.11 -0.34 0.00 0.00 178.44 178.12 1a6s h LYS 82 N 0.46 0.00 -0.25 1.25 6.56 -1.34 -2.51 116.57 120.73 1a6s h LYS 82 Ca 0.41 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.84 1a6s h LYS 82 Cb 0.61 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.27 1a6s h LYS 82 CO -0.39 0.23 -0.51 0.00 -2.06 0.00 0.00 179.45 176.72 1a6s h ALA 83 N 1.77 0.63 -0.11 3.86 0.00 0.19 -0.97 119.26 124.63 1a6s h ALA 83 Ca -0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1a6s h ALA 83 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1a6s h ALA 83 CO 0.03 0.68 0.06 0.00 0.00 0.00 0.00 179.25 180.02 1a6s h ALA 84 N 0.88 0.14 0.00 0.00 0.00 -0.36 0.83 119.26 120.75 1a6s h ALA 84 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1a6s h ALA 84 Cb 1.07 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1a6s h ALA 84 CO 0.10 -0.33 -0.04 0.00 0.00 0.00 0.00 179.25 178.99 1a6s h ARG 85 N 0.10 0.00 0.07 0.00 2.47 -1.45 -2.94 114.38 112.62 1a6s h ARG 85 Ca 0.04 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.61 1a6s h ARG 85 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1a6s h ARG 85 CO -0.01 0.04 -0.73 1.49 0.56 0.00 0.00 179.97 181.32 1a6s h GLU 86 N 0.00 0.15 0.00 0.04 4.81 -0.07 -3.51 114.58 115.99 1a6s h GLU 86 Ca -0.00 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1a6s h GLU 86 Cb 0.44 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1a6s h GLU 86 CO 0.01 1.12 0.00 0.39 -0.73 0.00 0.00 179.01 179.80